13NV
PanDDA analysis group deposition -- Crystal structure of PLpro-C111S in complex with Fr12938
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL02U1 |
| Synchrotron site | SSRF |
| Beamline | BL02U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-05-07 |
| Detector | DECTRIS EIGER2 S 9M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 83.360, 83.360, 135.010 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 34.870 - 2.860 |
| R-factor | 0.2049 |
| Rwork | 0.204 |
| R-free | 0.22640 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7cjm |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.530 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | DIMPLE |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 34.870 | 34.870 | 2.930 |
| High resolution limit [Å] | 2.860 | 12.790 | 2.860 |
| Rmerge | 0.127 | 0.041 | 1.378 |
| Rmeas | 0.131 | 0.043 | 1.413 |
| Rpim | 0.030 | 0.012 | 0.312 |
| Total number of observations | 249158 | 1972 | 19203 |
| Number of reflections | 13029 | 170 | 946 |
| <I/σ(I)> | 19.7 | 40.2 | 2.7 |
| Completeness [%] | 99.8 | 94.1 | 99.9 |
| Redundancy | 19.1 | 11.6 | 20.3 |
| CC(1/2) | 0.999 | 0.999 | 0.849 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 291 | 1.4 M Sodium Maleate pH 6.0 |
